Biomolecular NMR in the AI-assisted structural biology era: Old tricks and new opportunities

Biochim Biophys Acta Proteins Proteom. 2024 Feb 1;1872(2):140949. doi: 10.1016/j.bbapap.2023.140949. Epub 2023 Aug 11.

Abstract

Over the last 40 years nuclear magnetic resonance (NMR) spectroscopy has established itself as one of the most versatile techniques for the characterization of biomolecules, especially proteins. Given the molecular size limitations of NMR together with recent advances in cryo-electron microscopy and artificial intelligence-assisted protein structure prediction, the bright future of NMR in structural biology has been put into question. In this mini review we argue the contrary. We discuss the unique opportunities solution NMR offers to the protein chemist that distinguish it from all other experimental or computational methods, and how it can benefit from machine learning.

Keywords: Conformational dynamics; Machine learning; NMR spectroscopy; Protein interactions; Structural biology.

Publication types

  • Review
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Artificial Intelligence*
  • Cryoelectron Microscopy
  • Molecular Biology
  • Nuclear Magnetic Resonance, Biomolecular / methods
  • Proteins* / chemistry

Substances

  • Proteins